6-bromo-3-ethyl-7-methyl-1H-indole

C11H12BrN — CID 130049630

IUPAC6-bromo-3-ethyl-7-methyl-1H-indole
SMILESCCc1c[nH]c2c(C)c(Br)ccc12
InChIInChI=1S/C11H12BrN/c1-3-8-6-13-11-7(2)10(12)5-4-9(8)11/h4-6,13H,3H2,1-2H3
InChIKeyMPKMBERQIUEDDO-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.80
Rot. Bonds1

About 6-bromo-3-ethyl-7-methyl-1H-indole

6-bromo-3-ethyl-7-methyl-1H-indole (PubChem CID 130049630) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 6-bromo-3-ethyl-7-methyl-1H-indole.

Molecular Properties

Compound Name6-bromo-3-ethyl-7-methyl-1H-indole
PubChem CID130049630
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name6-bromo-3-ethyl-7-methyl-1H-indole
SMILESCCc1c[nH]c2c(C)c(Br)ccc12
InChIInChI=1S/C11H12BrN/c1-3-8-6-13-11-7(2)10(12)5-4-9(8)11/h4-6,13H,3H2,1-2H3
InChIKeyMPKMBERQIUEDDO-UHFFFAOYSA-N
XLogP3.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-6,7-difluoro-1H-indole
CID 130050075
6-bromo-3-cyclopropyl-7-methyl-1H-indole
CID 130049631
2-(6,7-dimethyl-1H-indol-3-yl)acetaldehyde
CID 82405431
3-ethyl-7-fluoro-6-methoxy-1H-indole
CID 130049741
(7-bromo-6-methyl-1H-indol-3-yl)methanamine
CID 130049517
6-bromo-2,3,7-trimethyl-1H-indole
CID 130050197
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
3-bromo-6-methoxy-7-methyl-1H-indole
CID 130052152
2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile
CID 82491993
7-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 117182045
7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one
CID 121237111

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-7-methyl-1H-indole?
The IUPAC name of 6-bromo-3-ethyl-7-methyl-1H-indole (CID 130049630) is 6-bromo-3-ethyl-7-methyl-1H-indole.
What is the SMILES notation for 6-bromo-3-ethyl-7-methyl-1H-indole?
The canonical SMILES for 6-bromo-3-ethyl-7-methyl-1H-indole is CCc1c[nH]c2c(C)c(Br)ccc12.
What is the InChIKey of 6-bromo-3-ethyl-7-methyl-1H-indole?
The InChIKey is MPKMBERQIUEDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-3-8-6-13-11-7(2)10(12)5-4-9(8)11/h4-6,13H,3H2,1-2H3.
What are the key properties of 6-bromo-3-ethyl-7-methyl-1H-indole?
6-bromo-3-ethyl-7-methyl-1H-indole has a molecular weight of 238.13 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-7-methyl-1H-indole is sourced from PubChem (CID 130049630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).